N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide

C12H24N2O — CID 115267579

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)CC1(CN)CCC1
InChIInChI=1S/C12H24N2O/c1-10(2)7-11(15)14(3)9-12(8-13)5-4-6-12/h10H,4-9,13H2,1-3H3
InChIKeyWJCOOYKXQCVDPZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide (PubChem CID 115267579) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide
PubChem CID115267579
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)CC1(CN)CCC1
InChIInChI=1S/C12H24N2O/c1-10(2)7-11(15)14(3)9-12(8-13)5-4-6-12/h10H,4-9,13H2,1-3H3
InChIKeyWJCOOYKXQCVDPZ-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide
CID 115267583
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,2-dimethylpropan-1-amine
CID 115448846
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 115272202
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 81171717
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915392
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylbenzamide
CID 115267586
2-[1-(aminomethyl)cyclobutyl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551782
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
CID 115272186
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(2-methylpropyl)acetamide
CID 81178763
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methylcyclopentanecarboxamide
CID 115272653
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115272233
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 104677794

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide (CID 115267579) is N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)CC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide?
The InChIKey is WJCOOYKXQCVDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)7-11(15)14(3)9-12(8-13)5-4-6-12/h10H,4-9,13H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 115267579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).